Back to Search
(2-Methyl-1-Propen-1-Yl)Benzene
CAS: 768-49-0 | C10H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
768-49-0
Molecular Formula:
C10H12
Molecular Mass:
132.21 g/mol
Names and Synonyms:
(2-Methyl-1-Propen-1-Yl)Benzene
Benzene, (2-methyl-1-propen-1-yl)-
Benzene, (2-methylpropenyl)-
Benzene, (2-methyl-1-propenyl)-
Benzene, isobutenyl-
(2-Methyl-1-propen-1-yl)benzene
1-Propene, 2-methyl-1-phenyl-
1-Phenyl-2-methyl-1-propene
β,β-Dimethylstyrene
1,1-Dimethyl-2-phenylethylene
2-Methyl-1-phenyl-1-propene
(2-Methylpropenyl)benzene
1-Phenyl-2-methylpropene
β-Methylisoallylbenzene
2-Methyl-1-phenylpropene
2-Benzylidenepropane
Isobutenylbenzene
2-Methyl-3-phenyl-2-propene
β-Dimethylstyrene
NSC 163349
(2-Methyl-1-propenyl)benzene
Identifiers:
SMILES:
CC(C)=Cc1ccccc1
InChI:
InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3
Key Properties
Boiling Point
99 °C
CAS Common Chemistry
Melting Point
-52--51 °C
CAS Common Chemistry
Density
0.90 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.21 g/mol | CAS Common Chemistry |
| 132.206 g/mol | RDKit | |
| 132.093900384 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9006 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 99 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C=C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BTOVVHWKPVSLBI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -52--51 °C | CAS Common Chemistry |
| Name | (2-Methyl-1-propen-1-yl)benzene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.1098000000000017 | RDKit |
| Molar Refractivity | 45.76700000000003 | RDKit |
